Methyl laurate - CAS 111-82-0
Catalog: |
BB002815 |
Product Name: |
Methyl laurate |
CAS: |
111-82-0 |
Synonyms: |
Dodecanoic acid, methyl ester; Lauric acid, methyl ester; Agnique ME 1270U; Agnique ME 1290; Agnique ME 1298; CE 1290; CE 1295; Edenor ME-C 1298-100; Emery 2296; Exceparl ML 85; Metholene 2296; Methyl dodecylate; Methyl laurinate; Methyl n-dodecanoate; NSC 5027; Pastell M 12; Radia 7118; Stepan C 40; Texaprint SDM 100; Uniphat A 40 |
Related CAS: | 409108-19-6 (Deleted CAS)
|
IUPAC Name: | methyl dodecanoate |
Molecular Weight: | 214.34 |
Molecular Formula: | C13H26O2 |
Canonical SMILES: | CCCCCCCCCCCC(=O)OC |
InChI: | InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3 |
InChI Key: | UQDUPQYQJKYHQI-UHFFFAOYSA-N |
Boiling Point: | 267°C |
Melting Point: | 5.2°C |
Flash Point: | >230 °F |
Density: | 0.8702 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Clear liquid |
Storage: | Store at 2-8°C |
Decomposition: | When heated to decomposition it emits acrid smoke and irritating vapors |
MDL: | MFCD00008966 |
LogP: | 4.08030 |
Refractive Index: | n20/D 1.432 |
Vapor Pressure: | 0.00411 [mmHg] |
GHS Hazard Statement: | H400 (82.55%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
27633901 | 20161201 | Screening of endocrine activity of compounds migrating from plastic baby bottles using a multi-receptor panel of in vitro bioassays | Toxicology in vitro : an international journal published in association with BIBRA |
22885112 | 20121115 | Diatomite-supported Pd-M (M=Cu, Co, Ni) bimetal nanocatalysts for selective hydrogenation of long-chain aliphatic esters | Journal of colloid and interface science |
22238638 | 20120101 | Functional evolution of duplicated odorant-binding protein genes, Obp57d and Obp57e, in Drosophila | PloS one |
22975784 | 20120101 | Acid activated montmorillonite as catalysts in methyl esterification reactions of lauric acid | Journal of oleo science |
21057946 | 20110301 | Characterization of cytochrome P450 monooxygenase CYP154H1 from the thermophilic soil bacterium Thermobifida fusca | Applied microbiology and biotechnology |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.193280068 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.193280068 |
Rotatable Bond Count: | 11 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.8 |
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